Theophylline-1,3-15N2-2-13C - CAS 84718-95-6

Theophylline-1,3-15N2-2-13C (CAT: R063868) is an isotopically labeled form of theophylline, a bronchodilator used in respiratory conditions like asthma and COPD. This labeled compound plays a pivotal role in scientific research, serving as a tracer in pharmacological and metabolic studies. By incorporating stable isotopes (13C and 15N) into its structure, researchers can investigate its metabolic pathways, pharmacokinetics, and drug metabolism within biological systems.

Catalog Number: R063868

CAS Number: 84718-95-6

PubChem Substance ID:355429723

Molecular Formula: C7H8N4O2

Molecular Weight:183.146

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonyms3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione-2-13C-1,3-15N2 ; 3,9-Dihydro-1,3-dimethyl-1H-purine-2,6-dione-1,3-15N2-2-13C; 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione-1,3-15N2-2-13C; 1,3-Dimethylxanthine-1,3-15N2-2-13C; Accurbron-1,3-15N2-2-13C; Aer

Property

Molecular Formula: C7H8N4O2
Molecular Weight183.146
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name1,3-dimethyl-7H-purine-2,6-dione
InChIInChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)/i7+1,10+1,11+1
InChIKeyZFXYFBGIUFBOJW-NBLDSOAPSA-N
SMILESCN1C2=C(C(=O)N(C1=O)C)NC=N2